| SpectraBase Spectrum ID |
Kr2VTasXwRK |
| Name |
(Z)-3-Amylpent-2-enedioic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-4-5-6-7-10(8-11(13)15-2)9-12(14)16-3/h8H,4-7,9H2,1-3H3/b10-8- |
| InChIKey |
AYEVFJVXJRSOIM-NTMALXAHSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
C(\C=C/(CC(=O)OC)CCCCC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924693 |
